Vitas-M small molecule compound
6-[2-(benzyloxy)-5-bromophenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169888
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)ccc1OCc1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H25BrN4O2S MW 549.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN4O2S/c1-2-3-15-35-27-30-26-24(31-32-27)20-11-7-8-12-22(20)29-25(34-26)21-16-19(28)13-14-23(21)33-17-18-9-5-4-6-10-18/h4-14,16,25,29H,2-3,15,17H2,1H3InChIKey
ZWPZSMPXOOSUGT-UHFFFAOYSA-NSynonyms
353766-86-6353766866
6(2(benzyloxy)5bromophenyl)3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5BROMO2PHENYLMETHOXYPHENYL)3BUTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5)N=N1
InChI=1SC27H25BrN4O2Sc123153527302624(313227)2011781222(20)2925(3426)211619(28)131423(21)33171895461018h414162529H231517H21H3
MFCD01834916
ZINC000002745669
ZINC000002745670
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